1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide

C22H22N8O3 — CID 4846009

IUPAC1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide
SMILESN#Cc1c(N2CCC(C(N)=O)CC2)nc(N)c2c(N)nc3c(c12)CC(=O)N3Cc1ccco1
InChIInChI=1S/C22H22N8O3/c23-9-14-16-13-8-15(31)30(10-12-2-1-7-33-12)22(13)28-19(25)17(16)18(24)27-21(14)29-5-3-11(4-6-29)20(26)32/h1-2,7,11H,3-6,8,10H2,(H2,24,27)(H2,25,28)(H2,26,32)
InChIKeyMBVNQPGVOTYBLV-UHFFFAOYSA-N
MW446.47 g/mol
LogP1.05
Rot. Bonds4

About 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide

1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide (PubChem CID 4846009) has the molecular formula C22H22N8O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide
PubChem CID4846009
Molecular FormulaC22H22N8O3
Molecular Weight446.47 g/mol
Exact Mass446.18
IUPAC Name1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide
SMILESN#Cc1c(N2CCC(C(N)=O)CC2)nc(N)c2c(N)nc3c(c12)CC(=O)N3Cc1ccco1
InChIInChI=1S/C22H22N8O3/c23-9-14-16-13-8-15(31)30(10-12-2-1-7-33-12)22(13)28-19(25)17(16)18(24)27-21(14)29-5-3-11(4-6-29)20(26)32/h1-2,7,11H,3-6,8,10H2,(H2,24,27)(H2,25,28)(H2,26,32)
InChIKeyMBVNQPGVOTYBLV-UHFFFAOYSA-N
XLogP1.05
TPSA181.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

8-(4-acetylpiperazin-1-yl)-5,6-diamino-3-methyl-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
CID 4542822
5,6-diamino-3-butyl-8-(4-formylpiperazin-1-yl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
CID 4009619
5,6-diamino-3-[(2S)-butan-2-yl]-8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
CID 25339470
1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 175941811
1-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
CID 857808
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 9442872
6-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137350
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
CID 11514656
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
1-(3-cyano-5-phenyl-2-pyridinyl)piperidine-4-carboxamide
CID 21004405
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517

Frequently Asked Questions

What is the IUPAC name of 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide (CID 4846009) is 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide is N#Cc1c(N2CCC(C(N)=O)CC2)nc(N)c2c(N)nc3c(c12)CC(=O)N3Cc1ccco1.
What is the InChIKey of 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide?
The InChIKey is MBVNQPGVOTYBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3/c23-9-14-16-13-8-15(31)30(10-12-2-1-7-33-12)22(13)28-19(25)17(16)18(24)27-21(14)29-5-3-11(4-6-29)20(26)32/h1-2,7,11H,3-6,8,10H2,(H2,24,27)(H2,25,28)(H2,26,32).
What are the key properties of 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide?
1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-diamino-9-cyano-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridin-8-yl]piperidine-4-carboxamide is sourced from PubChem (CID 4846009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).